CID 88894421

Dtxsid00889276

Structural Information

Molecular Formula
C8H17NO5
SMILES
CC(CNC(CO)(CO)CO)C(=O)O
InChI
InChI=1S/C8H17NO5/c1-6(7(13)14)2-9-8(3-10,4-11)5-12/h6,9-12H,2-5H2,1H3,(H,13,14)
InChIKey
LAGNRWZEVORTAF-UHFFFAOYSA-N
Compound name
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

207.11067 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11795 145.8
[M+Na]+ 230.09989 150.1
[M+NH4]+ 225.14449 149.2
[M+K]+ 246.07383 149.9
[M-H]- 206.10339 140.4
[M+Na-2H]- 228.08534 144.4
[M]+ 207.11012 144.1
[M]- 207.11122 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe